Functions to read mol2s. More...

#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include <IMP/core/StatisticalPairScore.h>
#include <IMP/Model.h>
#include <IMP/Particle.h>
#include <IMP/Restraint.h>
#include <IMP/PairScore.h>
#include <IMP/container/PairsRestraint.h>
#include <IMP/algebra/Vector3D.h>
#include <IMP/file.h>
#include <limits>

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Classes
class	IMP::atom::ProteinLigandAtomPairScore

class	IMP::atom::ProteinLigandRestraint

Namespaces
namespace	IMP
	All IMP::kernel code is brought into the IMP namespace.

namespace	IMP::atom
	See IMP.atom Overview for more information.

Protein-ligand scoring
`IMP` provides a statistical scoring function for scoring protein-ligand complexes. See the ligand scoring application for more information.
typedef IMP::base::Vector < IMP::base::Pointer < ProteinLigandAtomPairScore > >	IMP::atom::ProteinLigandAtomPairScores

typedef IMP::base::Vector < IMP::base::Pointer < ProteinLigandRestraint > >	IMP::atom::ProteinLigandRestraints

void	IMP::atom::add_protein_ligand_score_data (Hierarchy h)

Detailed Description

Definition in file protein_ligand_score.h.

Classes

Namespaces

Protein-ligand scoring

Detailed Description